(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine

C19H36N2 — CID 177134539

IUPAC(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC1CC(N2CCN(C3CCC(C(C)C)CC3)[C@H](C)C2)C1
InChIInChI=1S/C19H36N2/c1-14(2)17-5-7-18(8-6-17)21-10-9-20(13-16(21)4)19-11-15(3)12-19/h14-19H,5-13H2,1-4H3/t15?,16-,17?,18?,19?/m1/s1
InChIKeyXHAZYRAYSQOQSN-FCKMWZNQSA-N
MW292.51 g/mol
LogP4.01
Rot. Bonds3

About (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine

(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 177134539) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID177134539
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC1CC(N2CCN(C3CCC(C(C)C)CC3)[C@H](C)C2)C1
InChIInChI=1S/C19H36N2/c1-14(2)17-5-7-18(8-6-17)21-10-9-20(13-16(21)4)19-11-15(3)12-19/h14-19H,5-13H2,1-4H3/t15?,16-,17?,18?,19?/m1/s1
InChIKeyXHAZYRAYSQOQSN-FCKMWZNQSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine (CID 177134539) is (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine is CC1CC(N2CCN(C3CCC(C(C)C)CC3)[C@H](C)C2)C1.
What is the InChIKey of (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is XHAZYRAYSQOQSN-FCKMWZNQSA-N. The full InChI is InChI=1S/C19H36N2/c1-14(2)17-5-7-18(8-6-17)21-10-9-20(13-16(21)4)19-11-15(3)12-19/h14-19H,5-13H2,1-4H3/t15?,16-,17?,18?,19?/m1/s1.
What are the key properties of (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine?
(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 292.51 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 177134539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).